Aspartic acid Details
:
IUPAC Name
2-aminobutanedioic acid
:Chemical Class
Acid
:CAS Registry Number
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 424 |
| Molecular Weight (g/mol) | 133.103 |
| Molecular Formula | C4H7NO4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| IUPAC Name | 2-aminobutanedioic acid |
| Canonical SMILES | NC(CC(=O)O)C(=O)O |
| PUBCHEM IUPAC INCHIKEY | CKLJMWTZIZZHCS-UHFFFAOYSA-N |
| Solubility Level | 5 |
| Vapour Pressure | -7.141 |
Absorption and Metabolism information
| XLOGP3 AA | |
| CACTVS TPSA | 101 |
| BBB Level | 4 |
| Absorption Level | 1 |
| EXT PPB#Prediction | 0 |
| AlogP98 | -1.301 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Single-Carcinogen |
| Rat Female FDA | Non-Carcinogen |
| Rat Male FDA | Non-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 0.906715 g/kg_body_weight |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Mild |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
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| 11 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | Aspartic acid |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Mulethi | Mishri | Glucyrrhiza glabra mulethi essential oil |
Compound Image
2D Structure
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